Na4PtO4
Na4PtO4 is a metastable semiconducting oxide containing sodium and platinum.
About Na4PtO4
Na4PtO4 is a complex ternary oxide composed of sodium, platinum, and oxygen. As a metastable phase, it represents a unique structural arrangement that offers insights into the coordination chemistry of platinum in alkali-rich oxide environments.
This compound exhibits semiconducting electronic character, making it a subject of interest for fundamental studies in solid-state chemistry. Its existence across multiple reported structures highlights the intricate phase landscape of the sodium-platinum-oxygen system.
Key Properties
Cross-validated computational properties for Na4PtO4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Na4PtO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Na4PtO4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0014 | -1.410 | — |
| C2/m (No. 12) | monoclinic | 0.84 | 0.0595 | -4.884 | 4.71 |
| C2/m (No. 12) | monoclinic | 0.89 | 0.0791 | -1.302 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1152 | -4.828 | 4.80 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.96 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.01 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.71 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.06 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.90 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.80 |
Applications
Where Na4PtO4 is used.
Frequently Asked Questions
Common questions about Na4PtO4, answered from cross-validated data.
What is Na4PtO4?
Na4PtO4 is a metastable semiconducting oxide containing sodium and platinum.
What is Na4PtO4 used for?
What is the band gap of Na4PtO4?
Is Na4PtO4 a metal, semiconductor, or insulator?
Is Na4PtO4 thermodynamically stable?
What is the crystal structure of Na4PtO4?
What is the density of Na4PtO4?
How many polymorphs of Na4PtO4 are known?
What elements does Na4PtO4 contain?
Where does the data for Na4PtO4 come from?
How It Compares
As a specialized ternary oxide, Na4PtO4 occupies a distinct niche within the broader family of alkali metal platinates. Its metastable nature distinguishes it from more common, highly stable binary oxides, positioning it as a focus for researchers investigating synthesis pathways for unconventional electronic materials.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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